High Throughput Screening of Small Molecule Inhibitors for the Synthesis of Red Yeast Citrinin Based on Molecular Docking and Dynamic Simulation

High Throughput Screening of Small Molecule Inhibitors for the Synthesis of Red Yeast Citrinin Based on Molecular Docking and Dynamic Simulation

This study investigated high-throughput screening of inhibitors for the key enzyme CitE in the synthesis of red yeast citrinin through computer simulation. First, Alphafold 2 was used to build the homology model of CitE. and it was aligned with similar sequences to predict the ligand binding region...

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Bibliographic Details
Main Author: LI Juxing, GE Jiaqi, ZHANG Zhiyu, HE Miao, CUI Mengfei, GUO Qingbin, LI Zhenjing, WANG Changlu, LIU Huanhuan
Format: Article
Language:English
Published: China Food Publishing Company 2024-09-01
Series:Shipin Kexue
Subjects:
monascus; citrinin; inhibitors; molecular docking; molecular dynamics simulation; cite
Online Access:https://www.spkx.net.cn/fileup/1002-6630/PDF/2024-45-17-007.pdf

Internet

https://www.spkx.net.cn/fileup/1002-6630/PDF/2024-45-17-007.pdf

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